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Home > Fluorides > 1443328-39-9
1443328-39-9 | 4'-n-Butoxy-3',5'-difluoroacetophenone
CAS No: 1443328-39-9 Catalog No: AG01FCR3 MDL No:
Product Description
Catalog Number:
AG01FCR3
Chemical Name:
4'-n-Butoxy-3',5'-difluoroacetophenone
CAS Number:
1443328-39-9
Molecular Formula:
C12H14F2O2
Molecular Weight:
228.2352
IUPAC Name:
1-(4-butoxy-3,5-difluorophenyl)ethanone
InChI:
InChI=1S/C12H14F2O2/c1-3-4-5-16-12-10(13)6-9(8(2)15)7-11(12)14/h6-7H,3-5H2,1-2H3
InChI Key:
XCBYMKCKAGLBPV-UHFFFAOYSA-N
SMILES:
CCCCOc1c(F)cc(cc1F)C(=O)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.239g/mol
Monoisotopic Mass:
228.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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